6-methylcyclohexa-1,3-diene-1,3-diamine

C7H12N2 — CID 23355708

IUPAC6-methylcyclohexa-1,3-diene-1,3-diamine
SMILESCC1CC=C(N)C=C1N
InChIInChI=1S/C7H12N2/c1-5-2-3-6(8)4-7(5)9/h3-5H,2,8-9H2,1H3
InChIKeyAPBOTVMFKAGRCO-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.71
Rot. Bonds

About 6-methylcyclohexa-1,3-diene-1,3-diamine

6-methylcyclohexa-1,3-diene-1,3-diamine (PubChem CID 23355708) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 6-methylcyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name6-methylcyclohexa-1,3-diene-1,3-diamine
PubChem CID23355708
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name6-methylcyclohexa-1,3-diene-1,3-diamine
SMILESCC1CC=C(N)C=C1N
InChIInChI=1S/C7H12N2/c1-5-2-3-6(8)4-7(5)9/h3-5H,2,8-9H2,1H3
InChIKeyAPBOTVMFKAGRCO-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 6-methylcyclohexa-1,3-diene-1,3-diamine (CID 23355708) is 6-methylcyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 6-methylcyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 6-methylcyclohexa-1,3-diene-1,3-diamine is CC1CC=C(N)C=C1N.
What is the InChIKey of 6-methylcyclohexa-1,3-diene-1,3-diamine?
The InChIKey is APBOTVMFKAGRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-2-3-6(8)4-7(5)9/h3-5H,2,8-9H2,1H3.
What are the key properties of 6-methylcyclohexa-1,3-diene-1,3-diamine?
6-methylcyclohexa-1,3-diene-1,3-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 23355708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).